Biomedical subjects
Publications and source records attributed to Claudia Schrodt.
The reactions of P/S-precursors with coinage metal alkoxides and carboxylates offer new perspectives for the synthesis of complex metal aggregates.
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An approach to distinguish elements with similar atomic numbers in molecules and clusters is presented and applied to experimentally synthesized and structurally characterized mixed-metallic compounds. By first treating a homogenized reference system constructed from the original compound and applying first-order perturbation theory it is possible to find the most stable distribution of the atom types to the atomic sites in a very efficient way. This work is focused on the appropriate choice of homogenized reference systems and on applications treating experimentally synthesized compounds. With these examples is shown that the method is a helpful complement to X-ray crystal structure analysis.
An approach to describe heteroatomic clusters A(n)B(N-n) as perturbed homoatomic ones is presented. By first treating the homoatomic systems A(N) or/and B(N) and subsequent application of first-order perturbation theory it is possible to estimate relative stabilities of the 2(N) possible distributions of the atom types A and B at the N atomic sites in a very efficient manner. The approach was tested considering Ir(n)Pt(13-n) as an example (treated with density functional methods). One observes good correlation between relative stabilities estimated from the homoatomic cases and those obtained from explicit treatments of the binary systems. Moreover we rationalize the observed correlation of atom type and atom position in Ir(n)Pt(13-n).